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o-bis(beta-(Phenylthio)phenethyl)benzene

View entire compound with spectra: 1 FTIR

o-bis(beta-(Phenylthio)phenethyl)benzene
SpectraBase Compound ID 9FfrYZaE96C
InChI InChI=1S/C34H30S2/c1-5-15-27(16-6-1)25-33(35-29-19-9-3-10-20-29)31-23-13-14-24-32(31)34(26-28-17-7-2-8-18-28)36-30-21-11-4-12-22-30/h1-24,33-34H,25-26H2
InChIKey XWVWJNMFIJAODY-UHFFFAOYSA-N
Mol Weight 502.7 g/mol
Molecular Formula C34H30S2
Exact Mass 502.178893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C4IE7SyWwtb
Name o-bis(beta-(Phenylthio)phenethyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.178893314 u
Formula C34H30S2
InChI InChI=1S/C34H30S2/c1-5-15-27(16-6-1)25-33(35-29-19-9-3-10-20-29)31-23-13-14-24-32(31)34(26-28-17-7-2-8-18-28)36-30-21-11-4-12-22-30/h1-24,33-34H,25-26H2
InChIKey XWVWJNMFIJAODY-UHFFFAOYSA-N
Molecular Weight 502.734 g/mol
SMILES C1=C(C(=CC=C1)C(SC1=CC=CC=C1)CC=1C=CC=CC1)C(CC1=CC=CC=C1)SC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.984564